1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one

C16H15N3O — CID 3143279

IUPAC1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one
SMILESCCN1C(=O)CC(c2cccnc2)=Nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-2-19-15-8-4-3-7-13(15)18-14(10-16(19)20)12-6-5-9-17-11-12/h3-9,11H,2,10H2,1H3
InChIKeyAMFKDDWXRFKJKT-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.96
Rot. Bonds2

About 1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one

1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one (PubChem CID 3143279) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one
PubChem CID3143279
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one
SMILESCCN1C(=O)CC(c2cccnc2)=Nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-2-19-15-8-4-3-7-13(15)18-14(10-16(19)20)12-6-5-9-17-11-12/h3-9,11H,2,10H2,1H3
InChIKeyAMFKDDWXRFKJKT-UHFFFAOYSA-N
XLogP2.96
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one (CID 3143279) is 1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one is CCN1C(=O)CC(c2cccnc2)=Nc2ccccc21.
What is the InChIKey of 1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one?
The InChIKey is AMFKDDWXRFKJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-19-15-8-4-3-7-13(15)18-14(10-16(19)20)12-6-5-9-17-11-12/h3-9,11H,2,10H2,1H3.
What are the key properties of 1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one?
1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one has a molecular weight of 265.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-pyridin-3-yl-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 3143279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).